MLchartDataset catalogue

Molecular descriptor

Term · Chemistry · MLC-T-CHM-007483

A numerical value that quantifies a specific physicochemical property or structural feature of a molecule. These descriptors are derived from the molecular structure and can represent aspects such as size, shape, electronic properties, or connectivity. They are frequently used in quantitative structure-activity relationship (QSAR) studies to predict biological activity or other properties.

Table 1. Record
IdentifierMLC-T-CHM-007483
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1741 (https://doi.org/10.1351/PAC-REC-12-11-23)
Record as JSON
{
  "id": "MLC-T-CHM-007483",
  "term": "Molecular descriptor",
  "field": "Chemistry",
  "definition": "A numerical value that quantifies a specific physicochemical property or structural feature of a molecule. These descriptors are derived from the molecular structure and can represent aspects such as size, shape, electronic properties, or connectivity. They are frequently used in quantitative structure-activity relationship (QSAR) studies to predict biological activity or other properties.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1741 (https://doi.org/10.1351/PAC-REC-12-11-23)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/molecular-descriptor/"
}

Record 7,940 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.